SCHEMBL8032632

SCHEMBL8032632

C=C(C)C(=O)O/C(=C(\C#N)c1nc(-c2ccccc2)cs1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.50
ALDH1A1 P00352 7/20 0.50
POLB P06746 3/20 0.50
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 10/20 0.43
KMT2A Q03164 10/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HCRTR1 O43613 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8032635 1.00 MAPT (0.50) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8022930 0.85 MAPT (0.51) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8022931 0.85 MAPT (0.51) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8032389 0.81 MAPT (0.55) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8032390 0.81 MAPT (0.55) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8036557 0.79 MAPT (0.63) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8036552 0.79 MAPT (0.63) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL8038798 0.77 THRB (0.43) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL8038794 0.77 THRB (0.43) MAPTALDH1A1RAB9ANPC1MEN1
Dimethylamine SCHEMBL11274153 0.77 MAPT (0.58) MAPTALDH1A1POLBRAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed